General Information of the Compound
| Compound ID |
CP0550512
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| Compound Name |
US8969325, 301
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| Structure |
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| Formula |
C25H29FN4O4
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| Molecular Weight |
468.529
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| Canonical SMILES |
CC1(C)C[C@@H](NC(=O)Nc2ccc3CC(N4CCOCC4)C(=O)Nc3c2)c2ccc(F)cc2O1
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| InChI |
InChI=1S/C25H29FN4O4/c1-25(2)14-20(18-6-4-16(26)12-22(18)34-25)29-24(32)27-17-5-3-15-11-21(23(31)28-19(15)13-17)30-7-9-33-10-8-30/h3-6,12-13,20-21H,7-11,14H2,1-2H3,(H,28,31)(H2,27,29,32)/t20-,21?/m1/s1
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| InChIKey |
MLKLSQWAXXKDES-VQCQRNETSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound